[gmx-users] Residue-Residue Interaction Energies

Choon Peng cpchng at bii.a-star.edu.sg
Tue Sep 14 10:25:37 CEST 2004

Dear all,

  Anyone knows how to obtain the interaction energy (and the decomposition
of the components) between each pair of residues in a protein from a
completed MD simulation?
I believe g_enemat only works on existing groups. Tried protein-protein
but the resultant XPM file looks corrupted even when transformed to

Thank you.

choon peng
Mr. Choon-Peng CHNG
Research Associate
Computational Biology Group
BioInformatics Institute, BMSI
30 Biopolis Street, #07-01 Matrix, Singapore 138671.
DID: +65 6478 8301; Fax: +65 6478 9047

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